HRID2154079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID599071

dipyridyl ether

C10H8N2O

HCID2762709

2-Methoxypyridine-3-boronic acid

C6H8BNO3

结构：COC(=O)CCc1cc(OC)c(C(C)(C)C)cc1-c1ccc[nH]c1=O

HCID46195046

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCC(=O)O)c(-c2ccc[nH]c2=O)cc1C(C)(C)C

HCID46195044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-868b1abdcc974811b0b2ecdbf23d1c08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BrH:37].[C:38]([OH:39])(=[O:40])[CH3:41].[CH3:12][O:13][C:14]([CH2:15][CH2:16][c:17]1[c:18](-[c:29]2[c:30](=[O:35])[nH:31][cH:32][cH:33][cH:34]2)[cH:19][c:20]([C:25]([CH3:26])([CH3:27])[CH3:28])[c:21]([O:23][CH3:24])[cH:22]1)=[O:36].[CH3:1][O:2][c:3]1[c:4]([B:5]([OH:6])[OH:7])[cH:8][cH:9][cH:10][n:11]1.[n:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1[O:48][c:49]1[cH:50][cH:51][cH:52][cH:53][n:54]1>>[O:13]=[C:14]([CH2:15][CH2:16][c:17]1[c:18](-[c:29]2[c:30](=[O:35])[nH:31][cH:32][cH:33][cH:34]2)[cH:19][c:20]([C:25]([CH3:26])([CH3:27])[CH3:28])[c:21]([O:23][CH3:24])[cH:22]1)[OH:36]